2-(4-bromanylphenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-bromophenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-bromophenoxy)-1-[4-[4-(methylthio)benzyl]piperazino]ethanone; oxalic acid Formula: C22H25BrN2O6S MolecularWeight: 525.4127

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23BrN2O2S.C2H2O4/c1-26-19-8-2-16(3-9-19)14-22-10-12-23(13-11-22)20(24)15-25-18-6-4-17(21)5-7-18;3-1(4)2(5)6/h2-9H,10-15H2,1H3;(H,3,4)(H,5,6)